SCHEMBL482277

SCHEMBL482277

Cc1cc(-c2ncn(C3CCCCO3)n2)ccc1Br

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.36
CYP4A11 Q02928 2/20 0.36
CYP2C19 P33261 1/20 0.35
ABL1 P00519 1/20 0.35
S1PR1 P21453 1/20 0.34
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
RET P07949 2/20 0.32
PRKDC P78527 1/20 0.32
ATR Q13535 1/20 0.31
KDM5B Q9UGL1 1/20 0.31
BRD4 O60885 1/20 0.31
YTHDC1 Q96MU7 1/20 0.31
RXRA P19793 1/20 0.30
RXRB P28702 1/20 0.30
RXRG P48443 1/20 0.30
FLT3 P36888 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL22449803 0.81 AHR (0.35) CYP2C19MEN1RAB9AKMT2ACD274
SCHEMBL482117 0.80 CYP4F2 (0.33) CYP4F2CYP4A11ABL1CD274
SCHEMBL152264 0.80 CYP4F2 (0.35) CYP4F2CYP4A11CYP2C19ABL1RET
SCHEMBL29521977 0.80 CYP4F2 (0.35) CYP4F2CYP4A11CYP2C19ABL1RET
SCHEMBL153542 0.79 CYP2C19 (0.35) CYP4F2CYP4A11CYP2C19CD274RET
SCHEMBL481810 0.79 CYP4F2 (0.36) CYP4F2CYP4A11CYP2C19ABL1S1PR1
SCHEMBL2144561 0.78 ALDH1A1 (0.36) CYP4F2CYP4A11CYP2C19MEN1NPC1
SCHEMBL25680676 0.78 KDM5B (0.43) CYP4F2CYP4A11ABL1ATRKDM5B
SCHEMBL20605098 0.76 SRC (0.44) ABL1CD274PRKDCRXRARXRB
SCHEMBL16186767 0.75 GAA (0.36) CYP4F2CYP4A11CYP2C19MEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2457913-B1 Heteroaryl compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARM LLC (US) 2017-04-19 EP disclosed
EP-2090577-B1 Heteroaryl compounds, compositions thereof, and their use as protein kinase inhibitors SIGNAL PHARM LLC (US) 2017-04-05 EP disclosed
US-8372976-B2 Methods of treatment comprising the administration of heteroaryl compounds SIGNAL PHARMACEUTICALS, LLC (US) 2013-02-12 US disclosed
EP-2457913-A2 Heteroaryl compounds, compositions thereof, and methods of treatment therewith Signal Pharmaceuticals LLC (US) 2012-05-30 EP disclosed
EP-2078016-B1 HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARM LLC (US) 2012-02-01 EP disclosed
US-20110245245-A1 METHODS OF TREATMENT COMPRISING THE ADMINISTRATION OF HETEROARYL COMPOUNDS SIGNAL PHARMACEUTICALS, LLC 2011-10-06 US disclosed
US-7981893-B2 Heteroaryl compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2011-07-19 US disclosed
EP-2090577-A2 Heteroaryl compounds, compositions thereof, and their use as protein kinase inhibitors Signal Pharmaceuticals LLC (US) 2009-08-19 EP disclosed
EP-2078016-A2 HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH Signal Pharmaceuticals LLC (US) 2009-07-15 EP disclosed
US-20090023724-A1 Heteroaryl compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC 2009-01-22 US disclosed
WO-2008051493-A2 HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND THEIR USE AS PROTEIN KINASE INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2008-05-02 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110245245-A1 METHODS OF TREATMENT COMPRISING THE ADMINISTRATION OF HETEROARYL COMPOUNDS JAK2, GLS2, NFKBIA CYP4F2 1037/4885CYP4A11 529/4885CYP2C19 2518/4885
US-20090023724-A1 Heteroaryl compounds, compositions thereof, and methods of treatment therewith JAK2, PHKG1, PHKG2 CYP4F2 824/4885CYP4A11 356/4885CYP2C19 1570/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.